Compound Detail
CHEMBL276381
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Basic Information
| ChEMBL ID | CHEMBL276381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNTFMOXDOZPNHL-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
1.44
ALogP
8
HBA
3
HBD
163.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.54
Kd 1 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | Kd | 5.9 | 5.9 | 1258.9 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | IC50 | = | 290.0 | nM | 6.54 | Activity against high affinity Angiotensin II receptor, type 1 was measured from... | 8421274 |
| Oryctolagus cuniculus | Kd | = | 1258.93 | nM | 5.9 | Evaluated for antagonism of angiotensin II induced contraction of rabbit aorta r... | 8421274 |
| Type-2 angiotensin II receptor | IC50 | = | 30000.0 | nM | 4.52 | Activity against low affinity Angiotensin II receptor, type 2 was measured from ... | 8421274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8421274 | 10.1021/jm00053a013 | Type-1 angiotensin II receptor B | 1 |
| 8421274 | 10.1021/jm00053a013 | Type-2 angiotensin II receptor | 1 |
| 8421274 | 10.1021/jm00053a013 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine